N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-chloro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-chloro-benzamide Formula: C20H16BrClFN5O MolecularWeight: 476.729343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=C(C=CC(=C3)Br)Cl)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=C(C=CC(=C3)Br)Cl)C#N)N)F

InChI

InChI=1S/C20H16BrClFN5O/c21-12-3-8-17(22)15(10-12)20(29)26-9-1-2-18-16(11-24)19(25)28(27-18)14-6-4-13(23)5-7-14/h3-8,10H,1-2,9,25H2,(H,26,29)